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CAS 676348-24-6 4-(3-BROMO-4-FLUOROPHENYL)THIAZOL-2-YLAMINE molecular structure lightbox
CAS RN: 676348-24-6

4-(3-BROMO-4-FLUOROPHENYL)THIAZOL-2-YLAMINE

  • Product code: SSC-177354
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 676348-24-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

676348-24-6 / 4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-amine

Standard CAS: 676348-24-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
676348-24-6
Multi CAS
No
Molecular Formula
BC9H6N2RfS
Molecular Weight
273.130000
Exact Mass
271.941910
InChI
InChI=1S/C9H6BrFN2S/c10-6-3-5(1-2-7(6)11)8-4-14-9(12)13-8/h1-4H,(H2,12,13)
InChIKey
DUJCJNOITOUHLQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.62
TPSA
38.91

LogP / Solubility

WLOGP
3.29
MLOGP
2.91
XLogP3
3.1
Consensus LogP
3.1
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.29
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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